CID 122327

114289-47-3

Structural Information

Molecular Formula

C₂₃H₃₉NO₄

SMILES

CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC

InChI

InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)

InChIKey

WAFNZAURAWBNDZ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 72
References: 303
Patents: 393.2879 Da
Monoisotopic Mass: 7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	394.295176	202.3
[M+Na]+	416.277118	205.7
[M-H]-	392.280624	204.6
[M+NH4]+	411.321723	214.0
[M+K]+	432.251058	203.3
[M+H-H2O]+	376.285160	194.3
[M+HCOO]-	438.286101	221.6
[M+CH3COO]-	452.301751	229.6
[M+Na-2H]-	414.262566	201.1
[M]+	393.28735142	211.6
[M]-	393.28844858	211.6

Literature stripe

literature stripe

Patent stripe

patents stripe